CID 1077413

371923-25-0

Structural Information

Molecular Formula
C20H17N5O3
SMILES
CCOC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=N)CC4=CN=CC=C4
InChI
InChI=1S/C20H17N5O3/c1-2-28-20(27)14-10-15-18(23-16-7-3-4-9-24(16)19(15)26)25(17(14)21)12-13-6-5-8-22-11-13/h3-11,21H,2,12H2,1H3
InChIKey
DJGAWVYUYXUEJA-UHFFFAOYSA-N
Compound name
ethyl 6-imino-2-oxo-7-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.13315 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.14043 187.9
[M+Na]+ 398.12237 205.3
[M+NH4]+ 393.16697 193.4
[M+K]+ 414.09631 197.3
[M-H]- 374.12587 191.2
[M+Na-2H]- 396.10782 196.1
[M]+ 375.13260 191.3
[M]- 375.13370 191.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.